Information card for entry 2227523

Structure parameters

• Chemical name: 2-(3-Oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetamide
• Formula: C10 H10 N2 O2 S
• Calculated formula: C10 H10 N2 O2 S
• SMILES: c12ccccc1N(C(=O)CS2)CC(=O)N
• Title of publication: 2-(3-Oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)acetamide
• Authors of publication: Saeed, Azher; Mahmood, Zaid; Yang, Shiyao; Salim, Muhammad; Akhtar, Muhammad Saleem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2567
• a: 8.0652 ± 0.0006 Å
• b: 4.8415 ± 0.0003 Å
• c: 26.1517 ± 0.0019 Å
• α: 90°
• β: 94.798 ± 0.004°
• γ: 90°
• Cell volume: 1017.58 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes